Klain has informed Biden of his plans, the sources said, confirming a New York Times story that said the long-serving aide would likely depart after the president's State of the Union address on Feb. 7.
Klain, 61, has a long history at the White House, having served as chief of staff to former Vice President Al Gore and to Biden when he was vice president under President Barack Obama.
His departure is coming as Biden prepares to declare his intention to seek a second four-year term in 2024, an announcement anticipated after the State of the Union address.